2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one

C10H17NO2 — CID 59463978

IUPAC2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one
SMILESCC1(C)CC(=O)N=C(C(C)(C)C)O1
InChIInChI=1S/C10H17NO2/c1-9(2,3)8-11-7(12)6-10(4,5)13-8/h6H2,1-5H3
InChIKeyDDLLXNATFCDBSQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.16
Rot. Bonds

About 2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one

2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one (PubChem CID 59463978) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one
PubChem CID59463978
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one
SMILESCC1(C)CC(=O)N=C(C(C)(C)C)O1
InChIInChI=1S/C10H17NO2/c1-9(2,3)8-11-7(12)6-10(4,5)13-8/h6H2,1-5H3
InChIKeyDDLLXNATFCDBSQ-UHFFFAOYSA-N
XLogP2.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one?
The IUPAC name of 2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one (CID 59463978) is 2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one.
What is the SMILES notation for 2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one?
The canonical SMILES for 2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one is CC1(C)CC(=O)N=C(C(C)(C)C)O1.
What is the InChIKey of 2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one?
The InChIKey is DDLLXNATFCDBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(2,3)8-11-7(12)6-10(4,5)13-8/h6H2,1-5H3.
What are the key properties of 2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one?
2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one has a molecular weight of 183.25 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6,6-dimethyl-5H-1,3-oxazin-4-one is sourced from PubChem (CID 59463978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).